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IMoS 2.0 and Optimization of L-J parameters
Ion Mobility Spectrometry-Mass Spectometry
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#Formula
Cpd
Mass
KEGG
CAS
Polarity
Ion Species
CCS
Z
Gas
CCS Standard
Notes
Temperature
Charge
C14H10
Anthracene
120-12-7
positive
(M*)
138.7118
1
N2
270
1
C14H10
Anthracene
120-12-7
positive
(M*)
138.2554
1
N2
272
1
C14H10
Anthracene
120-12-7
positive
(M*)
137.9973
1
N2
273.15
1
C14H10
Anthracene
120-12-7
positive
(M*)
137.8124
1
N2
274
1
C14H10
Anthracene
120-12-7
positive
(M*)
137.3508
1
N2
276
1
C14H10
Anthracene
120-12-7
positive
(M*)
136.9433
1
N2
278
1
C14H10
Anthracene
120-12-7
positive
(M*)
136.4851
1
N2
280
1
C14H10
Anthracene
120-12-7
positive
(M*)
136.0116
1
N2
282
1
C14H10
Anthracene
120-12-7
positive
(M*)
135.6423
1
N2
284
1
C14H10
Anthracene
120-12-7
positive
(M*)
135.1745
1
N2
286
1
C14H10
Anthracene
120-12-7
positive
(M*)
134.7452
1
N2
288
1
C14H10
Anthracene
120-12-7
positive
(M*)
134.3577
1
N2
290
1
C14H10
Anthracene
120-12-7
positive
(M*)
133.9938
1
N2
292
1
C14H10
Anthracene
120-12-7
positive
(M*)
133.5734
1
N2
294
1
C14H10
Anthracene
120-12-7
positive
(M*)
133.1836
1
N2
296
1
C14H10
Anthracene
120-12-7
positive
(M*)
132.8005
1
N2
298
1
C14H10
Anthracene
120-12-7
positive
(M*)
132.3731
1
N2
300
1
C14H10
Anthracene
120-12-7
positive
(M*)
132.1181
1
N2
302
1
C14H10
Anthracene
120-12-7
positive
(M*)
131.7174
1
N2
304
1
C14H10
Anthracene
120-12-7
positive
(M*)
1
N2
310.15
1
C14H10
Anthracene
120-12-7
positive
(M*)
1
N2
373.15
1
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